methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate

C18H18O4 — CID 175494414

IUPACmethyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate
SMILESCOC(=O)c1ccc(CC(=O)OCc2ccccc2)cc1C
InChIInChI=1S/C18H18O4/c1-13-10-15(8-9-16(13)18(20)21-2)11-17(19)22-12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
InChIKeyRFJNQBOHHJVGEH-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.07
Rot. Bonds5

About methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate

methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate (PubChem CID 175494414) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate
PubChem CID175494414
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Namemethyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate
SMILESCOC(=O)c1ccc(CC(=O)OCc2ccccc2)cc1C
InChIInChI=1S/C18H18O4/c1-13-10-15(8-9-16(13)18(20)21-2)11-17(19)22-12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3
InChIKeyRFJNQBOHHJVGEH-UHFFFAOYSA-N
XLogP3.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-methoxy-2-oxoethyl)-2-methylbenzoate
CID 171792318
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
methyl 4-(3-chloro-2-oxopropyl)-2-methylbenzoate
CID 134635123
benzyl 2,4-dimethylbenzoate;dihydrochloride
CID 156703415
benzyl 2-(4-acetylphenyl)acetate
CID 121231799
benzyl 2-(3,4-dihydroxyphenyl)acetate
CID 155541666
benzyl 4-bromo-2-methylbenzoate
CID 22568915
benzyl 2-(5-methylfuran-3-yl)acetate
CID 134443184
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
benzyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetate
CID 18792286
benzyl propanoate;methyl benzoate
CID 70307580

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate?
The IUPAC name of methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate (CID 175494414) is methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate.
What is the SMILES notation for methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate?
The canonical SMILES for methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate is COC(=O)c1ccc(CC(=O)OCc2ccccc2)cc1C.
What is the InChIKey of methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate?
The InChIKey is RFJNQBOHHJVGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-13-10-15(8-9-16(13)18(20)21-2)11-17(19)22-12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3.
What are the key properties of methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate?
methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate has a molecular weight of 298.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(2-oxo-2-phenylmethoxyethyl)benzoate is sourced from PubChem (CID 175494414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).